[5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate

C24H34N4O7 — CID 88737005

IUPAC[5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
SMILESCCN(CC(O)COc1c(C)ncc(COC(=O)NC)c1COC(=O)NC)Oc1ccccc1C
InChIInChI=1S/C24H34N4O7/c1-6-28(35-21-10-8-7-9-16(21)2)12-19(29)14-32-22-17(3)27-11-18(13-33-23(30)25-4)20(22)15-34-24(31)26-5/h7-11,19,29H,6,12-15H2,1-5H3,(H,25,30)(H,26,31)
InChIKeyMYWWTBUFBXSEHH-UHFFFAOYSA-N
MW490.56 g/mol
LogP2.47
Rot. Bonds12

About [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate

[5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate (PubChem CID 88737005) has the molecular formula C24H34N4O7 and a molecular weight of 490.56 g/mol. Its IUPAC name is [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
PubChem CID88737005
Molecular FormulaC24H34N4O7
Molecular Weight490.56 g/mol
Exact Mass490.24
IUPAC Name[5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
SMILESCCN(CC(O)COc1c(C)ncc(COC(=O)NC)c1COC(=O)NC)Oc1ccccc1C
InChIInChI=1S/C24H34N4O7/c1-6-28(35-21-10-8-7-9-16(21)2)12-19(29)14-32-22-17(3)27-11-18(13-33-23(30)25-4)20(22)15-34-24(31)26-5/h7-11,19,29H,6,12-15H2,1-5H3,(H,25,30)(H,26,31)
InChIKeyMYWWTBUFBXSEHH-UHFFFAOYSA-N
XLogP2.47
TPSA131.48 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[5-[2-hydroxy-3-[2-(2-methylphenoxy)ethylamino]propoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate
CID 20508702
1-[ethyl(phenoxy)amino]-3-[(3-propyl-1,2-benzoxazol-7-yl)oxy]propan-2-ol
CID 54343531
(2-methylphenyl) N-(1-hydroxyethyl)carbamate
CID 175546454
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
[3-acetyloxy-5-(methoxymethyl)-2-methyl-4-pyridinyl]methyl acetate
CID 122642714
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
5-[3-[ethyl(phenoxy)amino]-2-hydroxypropoxy]-8-hydroxy-3,4-dihydro-1H-quinolin-2-one
CID 54396009
(2-propan-2-ylphenyl)methyl N-methylcarbamate
CID 19987801
(2R)-1-[(2,5-dimethylphenyl)methyl-propylamino]-3-(2-methylphenoxy)propan-2-ol
CID 93161722

Frequently Asked Questions

What is the IUPAC name of [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate?
The IUPAC name of [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate (CID 88737005) is [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate.
What is the SMILES notation for [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate?
The canonical SMILES for [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate is CCN(CC(O)COc1c(C)ncc(COC(=O)NC)c1COC(=O)NC)Oc1ccccc1C.
What is the InChIKey of [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate?
The InChIKey is MYWWTBUFBXSEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O7/c1-6-28(35-21-10-8-7-9-16(21)2)12-19(29)14-32-22-17(3)27-11-18(13-33-23(30)25-4)20(22)15-34-24(31)26-5/h7-11,19,29H,6,12-15H2,1-5H3,(H,25,30)(H,26,31).
What are the key properties of [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate?
[5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate has a molecular weight of 490.56 g/mol, XLogP of 2.47, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[ethyl-(2-methylphenoxy)amino]-2-hydroxypropoxy]-6-methyl-4-(methylcarbamoyloxymethyl)-3-pyridinyl]methyl N-methylcarbamate is sourced from PubChem (CID 88737005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).